相关论文: A tensor model for nematic phases of bent-core mol…
Recent developments in analog quantum simulators based on cold atoms and trapped ions call for cross-validating the accuracy of quantum-simulation experiments with use of quantitative numerical methods; however, it is particularly…
Properties of finite nuclei are investigated based on relativistic Hartree equations which have been derived from a relativistic quark model of the structure of bound nucleons. Nucleons are assumed to interact through the (self-consistent)…
A soft ellipsoid contact potential model for a pair of biaxial ellipsoidal molecules is proposed which considers the configuration dependent energy anisotropy explicitly along with their geometrical aspects. We performed Molecular Dynamics…
We extend the phase field crystal model to accommodate exact atomic configurations and vacancies by requiring the order parameter to be non-negative. The resulting theory dictates the number of atoms and describes the motion of each of…
We generalize our previous work on the phase stability and hydrodynamic of polar liquid crystals possessing local uniaxial $C_{\infty v}$-symmetry to biaxial systems exhibiting local $C_{2v}$-symmetry. Our work is motivated by the recently…
By molecular modeling we demonstrate that the nematic long-range order discovered in bent-core liquid crystal systems should reveal further spatially homogeneous phases. Two of them are identified as a tetrahedratic nematic ($N_T$) phase…
The kinetics of nucleation of a core-shell composite nucleus that consists of a core of stable final phase surrounded by a wetting layer of intermediate metastable phase is studied using the kinetic theory of binary nucleation not only in…
Factor model is an appealing and effective analytic tool for high-dimensional time series, with a wide range of applications in economics, finance and statistics. This paper develops two criteria for the determination of the number of…
Phase separation and transitions among different molecular states are ubiquitous in living cells. Such transitions can be governed by local equilibrium thermodynamics or by active processes controlled by biological fuel. It remains largely…
Matrix models, as quantum mechanical systems without explicit spatial dependence, provide valuable insights into higher-dimensional gauge and gravitational theories, especially within the framework of string theory, where they can describe…
Quantum-mechanical analysis based on an exact sum rule is used to extract an semiclassical angle-dependent energy function for transition metal ions in biomolecules. The angular dependence is simple but different from existing classical…
Recently, Tavarone et al. (J. Chem. Phys. 143, 114505 (2015)) discussed phase behavior of zig-zag and bow-shaped particles composed of three needles. The authors presented very interesting results of extensive Monte Carlo simulations with…
We develop a new formalism to treat nuclear many-body systems using bare nucleon-nucleon interaction. It has become evident that the tensor interaction plays important role in nuclear many-body systems due to the role of the pion in…
How change in molecular structure can affect relative stability and structural properties of the twist-bend nematic phase (N$_\text{TB}$)? Here we extend the mean-field model [C. Greco et al., Soft Matter, 2014, 10, 9318] for bent-shaped…
The ordering matrix, which was originally introduced by de Gennes, is a well-known mathematical device for describing orientational order of biaxial nematic liquid crystal. In this paper we propose a new interpretation of the ordering…
Macroscopic models of nucleation provide powerful tools for understanding activated phase transition processes. These models do not provide atomistic insights and can thus sometime lack material-specific descriptions. Here we provide a…
Machine learning has revolutionized the high-dimensional representations for molecular properties such as potential energy. However, there are scarce machine learning models targeting tensorial properties, which are rotationally covariant.…
We introduce a four-dimensional quantum model for describing the torsional control of $\rm G_{16}$-type molecules in the electronic ground state, based on the symmetry-adapted variational method. We define conditions for which…
The phase transition kinetics in three phase systems was investigated using the numerically efficient cell dynamics method. A phasefield model with a simple analytical free energy and single order parameter was used to study the kinetics…
Binary mixtures of lamellar colloids represented by hard platelets are studied within a generalization of the Zwanzig model for rods, whereby the square cuboids can take only three orientations along the $x$, $y$ or $z$ axes. The free…